Geometry & MOs

Info

ID:	58148
PubChem CID:	24424398
Reduced:	OS2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	327.176919
ΔH_f, kcal/mol:	28.82
Dipole, Da:	7.56
IP(EA), eV:	-8.51(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-1-[3-(dimethylamino)propyl]-3-phenylthiourea

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=S)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations